5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine

C17H20ClN3O — CID 155555228

IUPAC5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine
SMILESClc1cccc(CC2(COc3cncnc3)CCCNC2)c1
InChIInChI=1S/C17H20ClN3O/c18-15-4-1-3-14(7-15)8-17(5-2-6-19-11-17)12-22-16-9-20-13-21-10-16/h1,3-4,7,9-10,13,19H,2,5-6,8,11-12H2
InChIKeyYHJIXUOAMGTDTH-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.12
Rot. Bonds5

About 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine

5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine (PubChem CID 155555228) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine
PubChem CID155555228
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine
SMILESClc1cccc(CC2(COc3cncnc3)CCCNC2)c1
InChIInChI=1S/C17H20ClN3O/c18-15-4-1-3-14(7-15)8-17(5-2-6-19-11-17)12-22-16-9-20-13-21-10-16/h1,3-4,7,9-10,13,19H,2,5-6,8,11-12H2
InChIKeyYHJIXUOAMGTDTH-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine?
The IUPAC name of 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine (CID 155555228) is 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine?
The canonical SMILES for 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine is Clc1cccc(CC2(COc3cncnc3)CCCNC2)c1.
What is the InChIKey of 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine?
The InChIKey is YHJIXUOAMGTDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-15-4-1-3-14(7-15)8-17(5-2-6-19-11-17)12-22-16-9-20-13-21-10-16/h1,3-4,7,9-10,13,19H,2,5-6,8,11-12H2.
What are the key properties of 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine?
5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine has a molecular weight of 317.82 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3-chlorophenyl)methyl]piperidin-3-yl]methoxy]pyrimidine is sourced from PubChem (CID 155555228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).